#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9b s VAL 2 N 0.00 2.97 0.35 3.17 0.11 -1.26 -2.67 120.40 123.08 3i9b s VAL 2 Ca 0.00 0.87 0.06 0.00 -2.93 0.00 0.00 61.98 59.98 3i9b s VAL 2 Cb 0.00 -3.55 -0.07 0.00 -1.53 0.00 0.00 36.38 31.23 3i9b s VAL 2 CO 0.00 0.16 0.01 -0.54 -3.33 0.00 0.00 175.10 171.40 3i9b s LYS 3 N -0.80 1.77 -0.30 1.54 1.02 0.26 -3.44 119.74 119.78 3i9b s LYS 3 Ca 0.54 -1.98 0.03 0.00 0.02 0.00 0.00 55.97 54.58 3i9b s LYS 3 Cb -0.38 -1.29 0.08 0.00 -0.52 0.00 0.00 37.83 35.72 3i9b s LYS 3 CO 0.44 -0.07 0.00 0.42 -0.92 0.00 0.00 175.35 175.22 3i9b s ILE 4 N -2.96 1.94 0.06 2.17 1.09 -0.55 -1.41 121.20 121.54 3i9b s ILE 4 Ca 0.35 -1.87 0.01 0.00 -1.10 0.00 0.00 60.65 58.04 3i9b s ILE 4 Cb 0.08 -2.31 -0.00 0.00 -1.06 0.00 0.00 42.46 39.17 3i9b s ILE 4 CO 0.16 -0.40 0.04 -2.11 -0.10 0.00 0.00 174.94 172.53 3i9b n ARG 5 N 4.44 0.39 -4.31 2.79 1.85 -0.30 -0.71 116.66 120.80 3i9b n ARG 5 Ca -0.04 -0.53 -0.33 0.00 -1.00 0.00 0.00 57.85 55.95 3i9b n ARG 5 Cb 0.42 0.38 -0.09 0.00 -1.05 0.00 0.00 32.46 32.12 3i9b n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3i9b s LEU 6 N 0.00 3.53 -0.31 2.89 1.02 -1.26 -0.91 118.68 123.63 3i9b s LEU 6 Ca 0.05 0.04 0.03 0.00 0.02 0.00 0.00 54.13 54.27 3i9b s LEU 6 Cb 0.00 -1.96 0.09 0.00 0.02 0.00 0.00 46.19 44.34 3i9b s LEU 6 CO 0.04 0.31 0.01 0.00 0.02 0.00 0.00 176.35 176.72 3i9b s ALA 7 N -1.03 2.67 0.31 4.21 0.00 -0.56 -4.91 121.76 122.45 3i9b s ALA 7 Ca 0.18 -2.23 -0.29 0.00 0.00 0.00 0.00 51.96 49.62 3i9b s ALA 7 Cb -0.11 -1.82 -0.13 0.00 0.00 0.00 0.00 23.12 21.05 3i9b s ALA 7 CO 0.08 -1.54 1.26 -2.13 0.00 0.00 0.00 175.76 173.43 3i9b n ARG 8 N 4.36 1.95 -0.12 0.00 0.63 -1.26 -2.61 116.66 119.61 3i9b n ARG 8 Ca -0.02 0.68 0.00 0.00 -0.92 0.00 0.00 57.85 57.60 3i9b n ARG 8 Cb 0.42 -2.24 0.00 0.00 0.45 0.00 0.00 32.46 31.09 3i9b n ARG 8 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3i9b n PHE 9 N 0.64 -0.01 -0.60 -0.14 3.72 -0.85 -4.90 117.46 115.32 3i9b n PHE 9 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 3i9b n PHE 9 Cb 0.34 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 3i9b n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i9b n GLY 10 N 0.00 0.38 0.43 1.37 0.00 -1.26 -3.33 105.19 102.78 3i9b n GLY 10 Ca 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 46.02 45.17 3i9b n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i9b n SER 11 N 5.68 -0.15 -4.67 1.61 7.64 -1.18 -5.02 113.62 117.53 3i9b n SER 11 Ca 0.00 -1.26 -0.42 0.00 1.01 0.00 0.00 58.87 58.19 3i9b n SER 11 Cb 0.00 0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 63.46 3i9b n SER 11 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3i9b s LYS 12 N -2.13 4.26 -0.94 1.43 2.20 -1.26 -1.94 119.74 121.36 3i9b s LYS 12 Ca 0.04 1.90 -0.05 0.00 -0.36 0.00 0.00 55.97 57.50 3i9b s LYS 12 Cb 0.00 -3.71 0.01 0.00 -1.51 0.00 0.00 37.83 32.62 3i9b s LYS 12 CO 0.03 -0.65 0.82 0.72 -0.36 0.00 0.00 175.35 175.90 3i9b n HIS 13 N 6.04 -1.94 -2.66 4.03 8.25 -1.26 -4.93 115.22 122.74 3i9b n HIS 13 Ca 0.14 0.71 -0.03 0.00 -0.26 0.00 0.00 57.72 58.28 3i9b n HIS 13 Cb 0.44 -3.98 0.11 0.00 1.12 0.00 0.00 29.99 27.68 3i9b n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3i9b n ASN 14 N -1.94 -1.45 -4.05 0.41 5.15 -0.82 -5.16 115.26 107.42 3i9b n ASN 14 Ca -0.05 -2.15 -0.36 0.00 -0.60 0.00 0.00 54.58 51.42 3i9b n ASN 14 Cb 0.56 0.73 0.05 0.00 -0.53 0.00 0.00 39.78 40.60 3i9b n ASN 14 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3i9b n PRO 15 N -1.12 -0.06 -2.76 1.20 -0.02 -1.25 -3.10 135.00 127.90 3i9b n PRO 15 Ca -0.13 -0.01 0.01 0.00 -2.02 0.00 0.00 63.50 61.35 3i9b n PRO 15 Cb 0.83 -1.10 0.01 0.00 -0.02 0.00 0.00 33.50 33.22 3i9b n PRO 15 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3i9b s HIS 16 N -2.04 -0.37 0.30 6.00 3.76 -1.21 -4.70 115.29 117.02 3i9b s HIS 16 Ca 0.41 0.03 -0.19 0.00 -0.15 0.00 0.00 55.06 55.17 3i9b s HIS 16 Cb -0.14 0.07 -0.09 0.00 1.11 0.00 0.00 32.58 33.52 3i9b s HIS 16 CO 0.79 -0.25 0.78 0.71 -0.85 0.00 0.00 174.74 175.92 3i9b s TYR 17 N 1.83 3.51 -0.08 1.40 1.51 -1.00 -2.01 117.35 122.50 3i9b s TYR 17 Ca 0.16 1.40 0.03 0.00 -1.01 0.00 0.00 57.07 57.64 3i9b s TYR 17 Cb 0.04 -2.65 -0.02 0.00 -0.11 0.00 0.00 41.96 39.23 3i9b s TYR 17 CO -0.14 0.18 -0.16 0.50 -1.11 0.00 0.00 175.55 174.81 3i9b s ARG 18 N -2.51 2.87 -0.32 -0.62 3.52 -1.07 -1.05 118.95 119.77 3i9b s ARG 18 Ca 0.50 -0.74 -0.29 0.00 -0.13 0.00 0.00 55.73 55.08 3i9b s ARG 18 Cb -0.13 -2.43 0.02 0.00 -1.56 0.00 0.00 34.95 30.84 3i9b s ARG 18 CO 0.19 0.40 1.05 0.42 -0.81 0.00 0.00 175.30 176.56 3i9b s ILE 19 N -0.17 4.53 0.17 4.11 -1.09 0.22 -1.50 121.20 127.47 3i9b s ILE 19 Ca -0.01 1.69 0.11 0.00 -2.23 0.00 0.00 60.65 60.21 3i9b s ILE 19 Cb -0.14 -4.40 -0.04 0.00 -1.58 0.00 0.00 42.46 36.30 3i9b s ILE 19 CO 0.03 -0.47 -0.25 0.54 -1.23 0.00 0.00 174.94 173.57 3i9b s VAL 20 N 3.61 2.28 -0.60 2.92 0.11 -0.09 -1.77 120.40 126.86 3i9b s VAL 20 Ca 0.44 -1.92 -0.00 0.00 -2.93 0.00 0.00 61.98 57.58 3i9b s VAL 20 Cb -0.12 -2.06 0.15 0.00 -1.53 0.00 0.00 36.38 32.83 3i9b s VAL 20 CO 0.15 -0.05 0.39 0.54 -3.33 0.00 0.00 175.10 172.81 3i9b s VAL 21 N -1.45 3.31 0.00 2.04 0.11 -0.85 -1.15 120.40 122.41 3i9b s VAL 21 Ca 0.18 -3.20 0.00 0.00 -2.93 0.00 0.00 61.98 56.03 3i9b s VAL 21 Cb -0.09 -3.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.57 3i9b s VAL 21 CO 0.08 -0.87 0.00 1.07 -3.33 0.00 0.00 175.10 172.06 3i9b n THR 22 N 3.22 0.00 -3.82 5.04 5.66 -0.50 -2.04 114.28 121.85 3i9b n THR 22 Ca 0.08 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.73 3i9b n THR 22 Cb 0.35 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.05 3i9b n THR 22 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3i9b s ASP 23 N -0.46 6.09 0.48 1.09 -1.08 -1.26 0.89 116.67 122.41 3i9b s ASP 23 Ca 0.00 0.22 0.26 0.00 -0.52 0.00 0.00 52.55 52.51 3i9b s ASP 23 Cb 0.00 -2.05 1.31 0.00 -1.46 0.00 0.00 42.92 40.72 3i9b s ASP 23 CO 0.00 0.21 1.84 0.00 0.52 0.00 0.00 175.17 177.74 3i9b h ALA 24 N 6.45 2.59 0.00 3.66 0.00 -1.86 -1.23 119.26 128.87 3i9b h ALA 24 Ca -0.42 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 3i9b h ALA 24 Cb 1.16 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3i9b h ALA 24 CO 0.72 -0.90 -0.22 0.00 0.00 0.00 0.00 179.25 178.85 3i9b h ARG 25 N 0.19 0.00 -7.27 0.00 3.08 -1.94 -3.45 114.38 105.00 3i9b h ARG 25 Ca 0.50 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 60.08 3i9b h ARG 25 Cb 1.62 0.00 0.18 0.00 0.08 0.00 0.00 29.97 31.85 3i9b h ARG 25 CO -0.12 0.22 0.17 1.03 -1.07 0.00 0.00 179.97 180.20 3i9b s ARG 26 N -4.39 0.48 0.72 0.04 0.52 -0.47 -5.01 118.95 110.84 3i9b s ARG 26 Ca -0.03 0.95 -0.11 0.00 -0.52 0.00 0.00 55.73 56.02 3i9b s ARG 26 Cb 0.15 -1.71 0.02 0.00 0.52 0.00 0.00 34.95 33.93 3i9b s ARG 26 CO 0.68 -2.81 1.07 -1.59 0.02 0.00 0.00 175.30 172.66 3i9b s LYS 27 N -4.73 2.75 0.21 3.54 0.00 -1.26 -4.91 119.74 115.34 3i9b s LYS 27 Ca 0.66 0.84 -0.19 0.00 0.00 0.00 0.00 55.97 57.29 3i9b s LYS 27 Cb -0.21 -1.98 0.19 0.00 0.00 0.00 0.00 37.83 35.83 3i9b s LYS 27 CO 0.60 -1.20 1.58 -0.09 0.00 0.00 0.00 175.35 176.23 3i9b h ARG 28 N -0.79 -0.09 -1.40 1.78 2.43 -1.95 -0.08 114.38 114.29 3i9b h ARG 28 Ca -0.45 0.01 -0.70 0.00 -0.81 0.00 0.00 59.98 58.03 3i9b h ARG 28 Cb 1.23 0.02 -0.30 0.00 -0.42 0.00 0.00 29.97 30.50 3i9b h ARG 28 CO 0.58 -0.06 0.75 -0.25 -1.51 0.00 0.00 179.97 179.48 3i9b n ASP 29 N -5.46 7.29 -3.27 -3.80 10.43 -1.26 -4.64 116.55 115.85 3i9b n ASP 29 Ca 0.07 -3.80 0.00 0.00 2.57 0.00 0.00 54.79 53.63 3i9b n ASP 29 Cb 0.38 -0.94 0.00 0.00 1.84 0.00 0.00 41.12 42.39 3i9b n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3i9b n GLY 30 N -0.73 -0.18 3.24 0.44 0.00 -0.05 -4.95 105.19 102.97 3i9b n GLY 30 Ca 0.57 -1.36 -0.44 0.00 0.00 0.00 0.00 46.02 44.79 3i9b n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i9b n LYS 31 N 0.00 3.66 -0.87 1.61 4.81 -1.26 -5.03 118.16 121.08 3i9b n LYS 31 Ca 0.00 -4.48 -0.33 0.00 -0.87 0.00 0.00 58.31 52.63 3i9b n LYS 31 Cb 0.00 -2.53 0.14 0.00 0.02 0.00 0.00 35.03 32.66 3i9b n LYS 31 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 3i9b n TYR 32 N 2.34 0.12 -0.03 5.64 4.11 -1.26 -4.92 117.16 123.15 3i9b n TYR 32 Ca 0.24 0.35 -0.12 0.00 -0.00 0.00 0.00 57.90 58.37 3i9b n TYR 32 Cb 0.38 -1.95 0.00 0.00 -0.00 0.00 0.00 39.34 37.77 3i9b n TYR 32 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.86 177.68 3i9b h ILE 33 N -1.42 1.30 -1.52 -3.48 1.08 -1.77 -3.48 117.51 108.22 3i9b h ILE 33 Ca -0.44 -1.81 0.17 0.00 -0.39 0.00 0.00 64.86 62.39 3i9b h ILE 33 Cb 1.29 1.75 -0.22 0.00 -3.07 0.00 0.00 36.82 36.57 3i9b h ILE 33 CO 0.40 0.57 0.70 -0.70 -0.69 0.00 0.00 178.15 178.44 3i9b s GLU 34 N -4.00 0.43 -0.14 2.37 2.12 -1.20 -5.02 118.70 113.25 3i9b s GLU 34 Ca -0.09 -0.01 -0.09 0.00 0.36 0.00 0.00 54.97 55.14 3i9b s GLU 34 Cb 0.11 0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.65 3i9b s GLU 34 CO 0.87 -0.16 0.16 0.21 -0.54 0.00 0.00 175.26 175.80 3i9b s LYS 35 N -1.71 3.77 -0.38 4.30 2.20 -1.26 -2.00 119.74 124.67 3i9b s LYS 35 Ca 0.05 -0.11 0.11 0.00 -0.36 0.00 0.00 55.97 55.65 3i9b s LYS 35 Cb -0.01 -3.28 0.32 0.00 -1.51 0.00 0.00 37.83 33.34 3i9b s LYS 35 CO -0.04 0.58 0.67 0.44 -0.36 0.00 0.00 175.35 176.64 3i9b n ILE 36 N 2.60 -0.28 0.00 5.43 -5.35 -0.73 -5.02 119.36 116.01 3i9b n ILE 36 Ca -0.18 -4.42 0.00 0.00 -0.27 0.00 0.00 62.75 57.88 3i9b n ILE 36 Cb 0.54 -0.83 0.00 0.00 -1.74 0.00 0.00 39.64 37.61 3i9b n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i9b n GLY 37 N 0.64 2.29 0.00 3.28 0.00 -1.26 -3.66 105.19 106.47 3i9b n GLY 37 Ca 0.24 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3i9b n GLY 37 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3i9b n TYR 38 N 1.84 -0.02 -3.23 1.61 0.18 -0.92 0.70 117.16 117.32 3i9b n TYR 38 Ca 0.00 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.82 3i9b n TYR 38 Cb 0.00 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 38.92 3i9b n TYR 38 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 3i9b s TYR 39 N 0.86 -0.09 -0.43 -3.48 5.04 -0.21 -3.48 117.35 115.55 3i9b s TYR 39 Ca 0.00 0.15 -0.19 0.00 -2.44 0.00 0.00 57.07 54.59 3i9b s TYR 39 Cb 0.00 0.05 0.03 0.00 0.35 0.00 0.00 41.96 42.39 3i9b s TYR 39 CO 0.00 -0.04 0.53 0.34 -1.34 0.00 0.00 175.55 175.04 3i9b s ASP 40 N 1.96 6.25 0.00 4.32 -1.08 0.27 -2.38 116.67 126.01 3i9b s ASP 40 Ca -0.00 -0.57 0.21 0.00 -0.52 0.00 0.00 52.55 51.68 3i9b s ASP 40 Cb -0.01 -2.27 1.19 0.00 -1.46 0.00 0.00 42.92 40.38 3i9b s ASP 40 CO -0.16 -0.68 1.67 -0.81 0.52 0.00 0.00 175.17 175.71 3i9b n PRO 41 N 5.90 0.52 -0.63 4.34 -0.04 -1.26 -2.82 135.00 141.00 3i9b n PRO 41 Ca -0.05 0.04 0.06 0.00 -0.04 0.00 0.00 63.50 63.51 3i9b n PRO 41 Cb 0.47 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.57 3i9b n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i9b n ARG 42 N -1.12 1.08 -2.73 0.54 1.74 -1.26 -5.01 116.66 109.90 3i9b n ARG 42 Ca 0.14 -2.69 0.00 0.00 -0.77 0.00 0.00 57.85 54.53 3i9b n ARG 42 Cb 0.11 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 3i9b n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3i9b n LYS 43 N -0.80 -0.92 0.02 5.56 4.01 -1.13 -4.71 118.16 120.19 3i9b n LYS 43 Ca 0.14 -0.21 0.12 0.00 -0.51 0.00 0.00 58.31 57.85 3i9b n LYS 43 Cb 0.76 0.38 0.24 0.00 -0.51 0.00 0.00 35.03 35.91 3i9b n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3i9b n THR 44 N -0.86 0.10 -4.88 -0.18 -2.24 -1.26 -4.82 114.28 100.13 3i9b n THR 44 Ca 0.00 -0.08 -0.31 0.00 -2.27 0.00 0.00 64.05 61.39 3i9b n THR 44 Cb 0.00 0.11 -0.14 0.00 -2.10 0.00 0.00 70.33 68.20 3i9b n THR 44 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i9b s THR 45 N -3.05 2.41 0.34 4.28 -4.23 -1.26 -5.02 115.64 109.11 3i9b s THR 45 Ca 0.10 -1.23 0.12 0.00 -1.18 0.00 0.00 61.69 59.49 3i9b s THR 45 Cb 0.16 -1.95 0.34 0.00 1.34 0.00 0.00 72.50 72.39 3i9b s THR 45 CO 0.70 0.40 1.77 1.55 -0.54 0.00 0.00 174.62 178.50 3i9b h PRO 46 N 4.84 0.56 -2.51 3.99 0.13 -2.02 -2.70 132.00 134.29 3i9b h PRO 46 Ca -0.46 -0.03 -0.75 0.00 -0.87 0.00 0.00 66.00 63.88 3i9b h PRO 46 Cb 1.14 -0.13 -0.31 0.00 0.13 0.00 0.00 31.00 31.83 3i9b h PRO 46 CO 0.46 0.37 0.50 -0.25 -0.23 0.00 0.00 178.00 178.84 3i9b n ASP 47 N -4.74 6.12 -0.70 1.44 8.00 -1.26 -4.84 116.55 120.58 3i9b n ASP 47 Ca 0.25 -3.55 0.00 0.00 0.71 0.00 0.00 54.79 52.20 3i9b n ASP 47 Cb 0.72 -1.06 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 3i9b n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 3i9b n TRP 48 N 0.60 0.00 -3.64 1.24 4.27 -1.02 -4.68 117.44 114.20 3i9b n TRP 48 Ca 0.34 -0.14 -0.05 0.00 -3.89 0.00 0.00 57.50 53.76 3i9b n TRP 48 Cb 0.33 -0.12 -0.07 0.00 -1.36 0.00 0.00 31.31 30.08 3i9b n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3i9b s LEU 49 N 0.00 -0.29 -0.15 5.67 2.96 -1.26 -0.57 118.68 125.04 3i9b s LEU 49 Ca 0.00 0.53 -0.13 0.00 -0.22 0.00 0.00 54.13 54.31 3i9b s LEU 49 Cb 0.00 1.52 0.04 0.00 0.50 0.00 0.00 46.19 48.25 3i9b s LEU 49 CO 0.00 -0.09 0.39 -0.75 -1.32 0.00 0.00 176.35 174.58 3i9b s LYS 50 N 0.42 0.45 -0.12 1.98 2.36 -1.23 -4.99 119.74 118.61 3i9b s LYS 50 Ca 0.02 0.54 -0.09 0.00 -2.55 0.00 0.00 55.97 53.89 3i9b s LYS 50 Cb -0.05 0.22 0.04 0.00 -1.05 0.00 0.00 37.83 36.99 3i9b s LYS 50 CO -0.11 -0.06 0.31 0.08 1.55 0.00 0.00 175.35 177.12 3i9b s VAL 51 N 0.22 -0.01 -1.32 4.02 1.01 -1.26 -2.17 120.40 120.88 3i9b s VAL 51 Ca -0.00 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.94 3i9b s VAL 51 Cb -0.03 -0.45 0.13 0.00 0.00 0.00 0.00 36.38 36.04 3i9b s VAL 51 CO 0.00 0.02 2.11 -0.67 0.00 0.00 0.00 175.10 176.57 3i9b n ASP 52 N 3.43 6.18 -0.28 3.32 4.64 -1.24 -4.84 116.55 127.76 3i9b n ASP 52 Ca -0.17 -3.08 0.23 0.00 -1.38 0.00 0.00 54.79 50.39 3i9b n ASP 52 Cb 0.56 -1.45 0.39 0.00 -1.04 0.00 0.00 41.12 39.58 3i9b n ASP 52 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 3i9b n VAL 53 N 2.89 -0.12 0.18 5.18 0.24 -1.26 -0.61 118.33 124.83 3i9b n VAL 53 Ca 0.50 0.98 -0.08 0.00 -2.04 0.00 0.00 64.34 63.69 3i9b n VAL 53 Cb 0.32 -1.61 -0.04 0.00 -1.47 0.00 0.00 33.84 31.04 3i9b n VAL 53 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 3i9b h GLU 54 N 0.00 -0.51 0.18 7.34 9.09 -1.96 -2.16 114.58 126.55 3i9b h GLU 54 Ca 0.49 0.03 0.01 0.00 0.05 0.00 0.00 59.36 59.95 3i9b h GLU 54 Cb 1.65 0.12 -0.03 0.00 -1.65 0.00 0.00 28.75 28.83 3i9b h GLU 54 CO -0.23 -0.34 -0.29 0.00 0.05 0.00 0.00 179.01 178.20 3i9b h ARG 55 N -1.09 -0.52 -0.86 1.06 2.47 -1.28 -2.25 114.38 111.91 3i9b h ARG 55 Ca -0.05 0.04 0.22 0.00 -1.26 0.00 0.00 59.98 58.92 3i9b h ARG 55 Cb 0.41 0.12 -0.14 0.00 -1.65 0.00 0.00 29.97 28.71 3i9b h ARG 55 CO 0.09 -0.35 0.23 0.00 0.56 0.00 0.00 179.97 180.50 3i9b h ALA 56 N 0.11 1.23 0.00 0.04 0.00 -1.32 0.36 119.26 119.68 3i9b h ALA 56 Ca 0.02 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3i9b h ALA 56 Cb 0.55 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3i9b h ALA 56 CO -0.13 -0.44 -0.09 0.00 0.00 0.00 0.00 179.25 178.59 3i9b h ARG 57 N 0.23 0.00 0.19 0.00 3.08 -0.79 -2.95 114.38 114.13 3i9b h ARG 57 Ca 0.53 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.57 3i9b h ARG 57 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3i9b h ARG 57 CO -0.63 0.09 -0.09 -0.92 -1.07 0.00 0.00 179.97 177.34 3i9b h TYR 58 N 0.00 -0.23 0.00 3.04 5.03 -0.00 -2.87 116.97 121.93 3i9b h TYR 58 Ca -0.00 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.30 3i9b h TYR 58 Cb 0.19 0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.55 3i9b h TYR 58 CO 0.00 0.17 0.00 0.91 -1.32 0.00 0.00 178.16 177.92 3i9b n TRP 59 N -4.98 0.00 -0.09 -3.82 7.02 -1.05 -0.54 117.44 113.98 3i9b n TRP 59 Ca -0.08 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.21 3i9b n TRP 59 Cb 0.26 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.09 3i9b n TRP 59 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3i9b n LEU 60 N -0.62 1.26 -0.18 -0.99 4.77 -1.13 -3.84 117.00 116.27 3i9b n LEU 60 Ca 0.00 0.21 0.13 0.00 -0.03 0.00 0.00 56.01 56.33 3i9b n LEU 60 Cb 0.00 -0.52 0.46 0.00 -2.33 0.00 0.00 43.42 41.03 3i9b n LEU 60 CO 0.00 0.37 1.21 0.77 -1.33 0.00 0.00 177.39 178.41 3i9b h SER 61 N -0.63 0.47 -0.88 -1.43 4.64 -0.60 0.41 113.55 115.53 3i9b h SER 61 Ca -0.45 0.02 -0.49 0.00 -0.47 0.00 0.00 61.79 60.40 3i9b h SER 61 Cb 1.39 -0.07 -0.27 0.00 -0.31 0.00 0.00 62.40 63.14 3i9b h SER 61 CO -0.27 0.26 0.63 1.33 -0.87 0.00 0.00 176.83 177.91 3i9b n VAL 62 N -4.50 3.08 -1.53 0.95 0.24 -0.82 -5.02 118.33 110.74 3i9b n VAL 62 Ca 0.14 -1.94 0.00 0.00 -2.04 0.00 0.00 64.34 60.50 3i9b n VAL 62 Cb 0.46 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 32.13 3i9b n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i9b n GLY 63 N -0.87 -4.17 0.00 7.63 0.00 0.14 -5.00 105.19 102.92 3i9b n GLY 63 Ca 0.54 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3i9b n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9b n ALA 64 N -2.18 0.00 -1.81 4.61 0.00 -1.25 -4.57 120.51 115.31 3i9b n ALA 64 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3i9b n ALA 64 Cb 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.77 3i9b n ALA 64 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3i9b s GLN 65 N -1.19 3.92 0.17 0.00 -1.52 -1.22 -4.66 119.66 115.15 3i9b s GLN 65 Ca 0.00 1.06 0.00 0.00 -1.95 0.00 0.00 55.36 54.48 3i9b s GLN 65 Cb 0.00 -2.13 -0.04 0.00 -0.22 0.00 0.00 33.01 30.62 3i9b s GLN 65 CO 0.00 -0.30 0.34 -1.25 -0.25 0.00 0.00 175.29 173.83 3i9b s PRO 66 N -3.79 3.49 0.00 2.91 0.04 -1.26 -1.48 135.00 134.90 3i9b s PRO 66 Ca 0.61 -0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.21 3i9b s PRO 66 Cb -0.11 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.53 3i9b s PRO 66 CO 0.27 0.46 0.00 2.41 0.04 0.00 0.00 177.00 180.18 3i9b n THR 67 N -0.55 0.00 -0.02 1.26 -1.04 0.11 -4.70 114.28 109.33 3i9b n THR 67 Ca -0.06 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.99 3i9b n THR 67 Cb 0.54 -0.29 -0.14 0.00 -1.82 0.00 0.00 70.33 68.61 3i9b n THR 67 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3i9b n ASP 68 N 0.00 0.19 0.07 8.00 8.00 -1.26 -2.74 116.55 128.81 3i9b n ASP 68 Ca 0.00 0.08 0.11 0.00 0.71 0.00 0.00 54.79 55.69 3i9b n ASP 68 Cb 0.00 1.31 0.02 0.00 -0.02 0.00 0.00 41.12 42.43 3i9b n ASP 68 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3i9b n THR 69 N -2.53 0.43 0.06 -3.53 -1.04 -1.26 -1.64 114.28 104.77 3i9b n THR 69 Ca -0.13 -0.44 -0.04 0.00 -2.04 0.00 0.00 64.05 61.40 3i9b n THR 69 Cb 0.79 -0.16 -0.08 0.00 -1.82 0.00 0.00 70.33 69.05 3i9b n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i9b h ALA 70 N 2.19 0.55 0.13 2.41 0.00 -1.85 -2.72 119.26 119.97 3i9b h ALA 70 Ca 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 54.91 54.01 3i9b h ALA 70 Cb 0.90 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3i9b h ALA 70 CO 0.00 1.12 -0.06 -0.09 0.00 0.00 0.00 179.25 180.22 3i9b h ARG 71 N 0.00 -0.17 0.00 0.00 2.43 -1.51 -1.68 114.38 113.44 3i9b h ARG 71 Ca -0.08 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3i9b h ARG 71 Cb 1.70 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 3i9b h ARG 71 CO 0.09 0.29 0.00 -2.13 -1.51 0.00 0.00 179.97 176.71 3i9b n ARG 72 N -4.91 0.00 0.18 0.20 0.63 -0.65 -1.59 116.66 110.52 3i9b n ARG 72 Ca -0.08 0.82 -0.16 0.00 -0.92 0.00 0.00 57.85 57.51 3i9b n ARG 72 Cb 0.27 -1.25 -0.08 0.00 0.45 0.00 0.00 32.46 31.85 3i9b n ARG 72 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3i9b h LEU 73 N 0.00 -1.23 -0.97 6.15 3.38 -1.57 -2.43 115.31 118.63 3i9b h LEU 73 Ca 0.00 0.12 0.17 0.00 0.09 0.00 0.00 57.88 58.26 3i9b h LEU 73 Cb 0.00 0.44 -0.17 0.00 0.09 0.00 0.00 40.66 41.02 3i9b h LEU 73 CO 0.00 -0.54 -0.33 -0.07 0.09 0.00 0.00 178.44 177.59 3i9b h LEU 74 N -0.76 -1.21 0.53 1.67 3.38 -0.90 0.10 115.31 118.12 3i9b h LEU 74 Ca -0.01 0.30 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 3i9b h LEU 74 Cb 0.73 0.69 0.01 0.00 0.09 0.00 0.00 40.66 42.17 3i9b h LEU 74 CO -0.17 -0.30 -0.25 -0.09 0.09 0.00 0.00 178.44 177.72 3i9b h ARG 75 N -0.01 -0.68 0.00 1.13 2.43 -1.18 -2.06 114.38 114.01 3i9b h ARG 75 Ca 0.39 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 3i9b h ARG 75 Cb 0.64 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3i9b h ARG 75 CO -0.98 -0.45 0.01 0.94 -1.51 0.00 0.00 179.97 177.99 3i9b n GLN 76 N -5.39 0.00 -0.11 0.20 7.27 0.28 0.16 117.38 119.79 3i9b n GLN 76 Ca -0.12 0.03 0.07 0.00 0.07 0.00 0.00 57.00 57.05 3i9b n GLN 76 Cb 0.30 -1.51 0.09 0.00 2.41 0.00 0.00 30.24 31.52 3i9b n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3i9b n ALA 77 N -0.89 2.14 -2.92 1.69 0.00 -0.69 -5.01 120.51 114.84 3i9b n ALA 77 Ca 0.00 -2.07 -0.12 0.00 0.00 0.00 0.00 53.44 51.25 3i9b n ALA 77 Cb 0.01 -0.32 0.06 0.00 0.00 0.00 0.00 19.45 19.21 3i9b n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9b n GLY 78 N -1.05 -0.42 0.32 0.00 0.00 0.42 -4.89 105.19 99.57 3i9b n GLY 78 Ca 0.11 0.18 -0.21 0.00 0.00 0.00 0.00 46.02 46.10 3i9b n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i9b n VAL 79 N -3.03 1.24 0.11 1.61 0.31 -1.06 -4.53 118.33 112.98 3i9b n VAL 79 Ca -0.13 -0.22 -0.04 0.00 -0.01 0.00 0.00 64.34 63.95 3i9b n VAL 79 Cb 0.61 -1.87 0.09 0.00 -0.91 0.00 0.00 33.84 31.76 3i9b n VAL 79 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3i9b h PHE 80 N -0.78 0.07 -1.47 3.52 0.05 -1.82 -3.45 116.94 113.06 3i9b h PHE 80 Ca -0.46 -0.03 -0.72 0.00 3.82 0.00 0.00 57.97 60.58 3i9b h PHE 80 Cb 1.36 -0.01 0.05 0.00 2.00 0.00 0.00 35.95 39.35 3i9b h PHE 80 CO -0.12 0.74 0.43 -2.13 -0.18 0.00 0.00 178.31 177.06 3i9b n ARG 81 N -3.72 0.82 0.00 1.51 3.00 -1.26 -4.87 116.66 112.14 3i9b n ARG 81 Ca -0.01 0.30 0.00 0.00 -0.00 0.00 0.00 57.85 58.14 3i9b n ARG 81 Cb 0.69 -1.90 -0.00 0.00 0.00 0.00 0.00 32.46 31.25 3i9b n ARG 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i9b n GLN 82 N 2.73 3.33 0.00 -0.14 10.64 -1.26 -5.04 117.38 127.64 3i9b n GLN 82 Ca 0.20 -0.25 0.00 0.00 -1.83 0.00 0.00 57.00 55.13 3i9b n GLN 82 Cb 0.14 -0.75 0.00 0.00 -0.86 0.00 0.00 30.24 28.77 3i9b n GLN 82 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3i9b n GLU 83 N -0.54 0.00 0.00 2.61 -0.58 -1.26 -5.26 120.64 115.61 3i9b n GLU 83 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i9b n GLU 83 Cb 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.89 3i9b n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65